1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one

C14H9F3N2OS2 — CID 30657075

IUPAC1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one
SMILESO=c1c(C(F)(F)F)cccn1Cc1csc(-c2cccs2)n1
InChIInChI=1S/C14H9F3N2OS2/c15-14(16,17)10-3-1-5-19(13(10)20)7-9-8-22-12(18-9)11-4-2-6-21-11/h1-6,8H,7H2
InChIKeyQXWWBUNXMMFOPR-UHFFFAOYSA-N
MW342.37 g/mol
LogP4.10
Rot. Bonds3

About 1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one

1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one (PubChem CID 30657075) has the molecular formula C14H9F3N2OS2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one
PubChem CID30657075
Molecular FormulaC14H9F3N2OS2
Molecular Weight342.37 g/mol
Exact Mass342.01
IUPAC Name1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one
SMILESO=c1c(C(F)(F)F)cccn1Cc1csc(-c2cccs2)n1
InChIInChI=1S/C14H9F3N2OS2/c15-14(16,17)10-3-1-5-19(13(10)20)7-9-8-22-12(18-9)11-4-2-6-21-11/h1-6,8H,7H2
InChIKeyQXWWBUNXMMFOPR-UHFFFAOYSA-N
XLogP4.10
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one (CID 30657075) is 1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one is O=c1c(C(F)(F)F)cccn1Cc1csc(-c2cccs2)n1.
What is the InChIKey of 1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is QXWWBUNXMMFOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2OS2/c15-14(16,17)10-3-1-5-19(13(10)20)7-9-8-22-12(18-9)11-4-2-6-21-11/h1-6,8H,7H2.
What are the key properties of 1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one?
1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 342.37 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 30657075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).